(3S)-3-(but-1-en-2-ylamino)but-1-en-2-ol

C8H15NO — CID 121345273

IUPAC(3S)-3-(but-1-en-2-ylamino)but-1-en-2-ol
SMILESC=C(CC)N[C@@H](C)C(=C)O
InChIInChI=1S/C8H15NO/c1-5-6(2)9-7(3)8(4)10/h7,9-10H,2,4-5H2,1,3H3/t7-/m0/s1
InChIKeyHGEAIZCBQNQCRR-ZETCQYMHSA-N
MW141.21 g/mol
LogP1.96
Rot. Bonds4

About (3S)-3-(but-1-en-2-ylamino)but-1-en-2-ol

(3S)-3-(but-1-en-2-ylamino)but-1-en-2-ol (PubChem CID 121345273) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3S)-3-(but-1-en-2-ylamino)but-1-en-2-ol.

Molecular Properties

Compound Name(3S)-3-(but-1-en-2-ylamino)but-1-en-2-ol
PubChem CID121345273
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3S)-3-(but-1-en-2-ylamino)but-1-en-2-ol
SMILESC=C(CC)N[C@@H](C)C(=C)O
InChIInChI=1S/C8H15NO/c1-5-6(2)9-7(3)8(4)10/h7,9-10H,2,4-5H2,1,3H3/t7-/m0/s1
InChIKeyHGEAIZCBQNQCRR-ZETCQYMHSA-N
XLogP1.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(but-1-en-2-ylamino)propanoic acid
CID 145082166
1-N-but-1-en-2-yl-1-N',1-N'-dimethylethane-1,1-diamine
CID 146392587
2-(pent-1-en-2-ylamino)propanoic acid
CID 143322782
(3R)-3-(methylamino)but-1-en-2-ol
CID 59247912
(3R)-3-methylpent-1-en-2-ol
CID 89203555
N-but-1-en-2-yl-5,5-dimethyl-4-methylidenehexan-3-amine
CID 155468081
2-(2-methylbutanoylamino)propanoic acid
CID 14758658
N-but-1-en-2-ylthiohydroxylamine
CID 89343017
N-(3-oxobutan-2-yl)propanamide
CID 22943760
2-(2,4-dimethylpentanoylamino)propanoic acid
CID 90967232
(2S)-5-[[1-carboxy-4-(methylamino)-4-oxobutyl]amino]-5-oxo-2-(propanoylamino)pentanoic acid
CID 90455527
(3S)-3-(3-hydroxybut-3-en-2-ylamino)-4-phenylbut-1-en-2-ol
CID 142025846

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(but-1-en-2-ylamino)but-1-en-2-ol?
The IUPAC name of (3S)-3-(but-1-en-2-ylamino)but-1-en-2-ol (CID 121345273) is (3S)-3-(but-1-en-2-ylamino)but-1-en-2-ol.
What is the SMILES notation for (3S)-3-(but-1-en-2-ylamino)but-1-en-2-ol?
The canonical SMILES for (3S)-3-(but-1-en-2-ylamino)but-1-en-2-ol is C=C(CC)N[C@@H](C)C(=C)O.
What is the InChIKey of (3S)-3-(but-1-en-2-ylamino)but-1-en-2-ol?
The InChIKey is HGEAIZCBQNQCRR-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-6(2)9-7(3)8(4)10/h7,9-10H,2,4-5H2,1,3H3/t7-/m0/s1.
What are the key properties of (3S)-3-(but-1-en-2-ylamino)but-1-en-2-ol?
(3S)-3-(but-1-en-2-ylamino)but-1-en-2-ol has a molecular weight of 141.21 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(but-1-en-2-ylamino)but-1-en-2-ol is sourced from PubChem (CID 121345273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).